3-(Chloromethyl)-5-methyl-1,2,4-oxadiazole

HCID 302157CAS 1192-80-9

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Grundinformationen

Standard-SMILES: Cc1nc(CCl)no1
InChIKey: ZFYVXZGJPJTIPQ-UHFFFAOYSA-N
Summenformel: C4H5ClN2O
Durchschnittliche Molmasse: 132,55 g/mol
Monoisotopische Masse: 132,00904046

Namen und Bezeichner

Bevorzugter Name: 3-(Chloromethyl)-5-methyl-1,2,4-oxadiazole
IUPAC: 3-(chloromethyl)-5-methyl-1,2,4-oxadiazole
Englischer Name: 3-(Chloromethyl)-5-methyl-1,2,4-oxadiazole
Summenformel: C4H5ClN2O
Molmasse: 132.55

Namen und Synonyme

3-(chloromethyl)-5-methyl-1,2,4-oxadiazoleDTXSID10306989RefChem:494654DTXCID10258116692-261-81192-80-93-Chloromethyl-5-methyl-[1,2,4]oxadiazole1,2,4-OXADIAZOLE, 3-(CHLOROMETHYL)-5-METHYL-MFCD01809083NSC1848243-chloromethyl-5-methyl-1,2,4-oxadiazoleSCHEMBL1170174

Weitere Namen anzeigen

3-(Chloromethyl)-5-methyl-1,2,4-oxadiazole 98%3-(chloromethyl)-5-methyl-1,2,4-oxadiazole(SALTDATA: FREE)

ZFYVXZGJPJTIPQ-UHFFFAZFYVXZGJPJTIPQ-UHFFFAOYSA-NALBB-018592SBB014359STK787108AKOS001200892AB09935NSC-184824

Datenbank-Bezeichner

CAS: 1192-80-9
PubChem CID: 302157
DTXSID: DTXSID10306989
EC Number: 692-261-8
Nikkaji: J774.286J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 38,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 80,4

Physikochemische Eigenschaften

Siedepunkt: 76 · 76-77 °C(Press: 15 Torr)
Dichte: 1.291 · 1.291±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
pka: -1.1 · -1.10±0.32(Predicted)
Aggregatzustand: liquid
Farbe: Colourless

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.